[4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [4-[2-(4-bromoanilino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: [4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [4-[2-(4-bromoanilino)-2-keto-ethoxy]-3-methoxy-benzyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C20H26BrN2O4+ MolecularWeight: 438.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Br)OC

Isomeric SMILES

CC(C)(CO)[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C20H25BrN2O4/c1-20(2,13-24)22-11-14-4-9-17(18(10-14)26-3)27-12-19(25)23-16-7-5-15(21)6-8-16/h4-10,22,24H,11-13H2,1-3H3,(H,23,25)/p+1